tert-butyl N-[(2S,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,5-diphenylpentan-2-yl]carbamate

C27H38N2O5 — CID 10389988

IUPACtert-butyl N-[(2S,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,5-diphenylpentan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C27H38N2O5/c1-26(2,3)33-24(31)28-21(17-19-13-9-7-10-14-19)23(30)22(18-20-15-11-8-12-16-20)29-25(32)34-27(4,5)6/h7-16,21-23,30H,17-18H2,1-6H3,(H,28,31)(H,29,32)/t21-,22-/m0/s1
InChIKeyIJCBNPJVZHJGCE-VXKWHMMOSA-N
MW470.61 g/mol
LogP4.62
Rot. Bonds8

About tert-butyl N-[(2S,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,5-diphenylpentan-2-yl]carbamate

tert-butyl N-[(2S,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,5-diphenylpentan-2-yl]carbamate (PubChem CID 10389988) has the molecular formula C27H38N2O5 and a molecular weight of 470.61 g/mol. Its IUPAC name is tert-butyl N-[(2S,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,5-diphenylpentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,5-diphenylpentan-2-yl]carbamate
PubChem CID10389988
Molecular FormulaC27H38N2O5
Molecular Weight470.61 g/mol
Exact Mass470.28
IUPAC Nametert-butyl N-[(2S,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,5-diphenylpentan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C27H38N2O5/c1-26(2,3)33-24(31)28-21(17-19-13-9-7-10-14-19)23(30)22(18-20-15-11-8-12-16-20)29-25(32)34-27(4,5)6/h7-16,21-23,30H,17-18H2,1-6H3,(H,28,31)(H,29,32)/t21-,22-/m0/s1
InChIKeyIJCBNPJVZHJGCE-VXKWHMMOSA-N
XLogP4.62
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.61
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(2S,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,5-diphenylpentan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,5-diphenylpentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,5-diphenylpentan-2-yl]carbamate (CID 10389988) is tert-butyl N-[(2S,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,5-diphenylpentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,5-diphenylpentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,5-diphenylpentan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,5-diphenylpentan-2-yl]carbamate?
The InChIKey is IJCBNPJVZHJGCE-VXKWHMMOSA-N. The full InChI is InChI=1S/C27H38N2O5/c1-26(2,3)33-24(31)28-21(17-19-13-9-7-10-14-19)23(30)22(18-20-15-11-8-12-16-20)29-25(32)34-27(4,5)6/h7-16,21-23,30H,17-18H2,1-6H3,(H,28,31)(H,29,32)/t21-,22-/m0/s1.
What are the key properties of tert-butyl N-[(2S,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,5-diphenylpentan-2-yl]carbamate?
tert-butyl N-[(2S,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,5-diphenylpentan-2-yl]carbamate has a molecular weight of 470.61 g/mol, XLogP of 4.62, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,5-diphenylpentan-2-yl]carbamate is sourced from PubChem (CID 10389988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).